tert-butyl 1-[(2-bromophenyl)methyl]-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[(2-bromophenyl)methyl]-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(2-bromophenyl)methyl]-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromophenyl)methyl]-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2-bromophenyl)methyl]-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromobenzyl)-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H26BrNO2 MolecularWeight: 416.35134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCN(C2CC3=CC=CC=C3Br)C(=O)OC(C)(C)C)C=C1

Isomeric SMILES

CC1=CC2=C(CCN(C2CC3=CC=CC=C3Br)C(=O)OC(C)(C)C)C=C1

InChI

InChI=1S/C22H26BrNO2/c1-15-9-10-16-11-12-24(21(25)26-22(2,3)4)20(18(16)13-15)14-17-7-5-6-8-19(17)23/h5-10,13,20H,11-12,14H2,1-4H3